| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4471775
Max Phase: Preclinical
Molecular Formula: C29H35N3O5S
Molecular Weight: 537.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCOCC3)cccc12
Standard InChI: InChI=1S/C29H35N3O5S/c1-29(2,3)32-38(35,36)26-14-8-11-22-23(26)12-7-13-24(22)30-28(34)25(19-20-9-5-4-6-10-20)31-27(33)21-15-17-37-18-16-21/h4-14,21,25,32H,15-19H2,1-3H3,(H,30,34)(H,31,33)/t25-/m0/s1
Standard InChI Key: JZYVFMHFAYQAML-VWLOTQADSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 30 944 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 537.68 | Molecular Weight (Monoisotopic): 537.2297 | AlogP: 4.01 | #Rotatable Bonds: 8 |
| Polar Surface Area: 113.60 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.88 | CX Basic pKa: | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.40 | Np Likeness Score: -1.11 |
References
| 1. (2018) Usp30 inhibitors, |
Source
Source(1):